ChemSpider 2D Image | 2-(2,4-Dihydroxyphenyl)-8-{6-(2,4-dihydroxyphenyl)-5-[(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl}-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-chromen-4-one | C45H44O11

2-(2,4-Dihydroxyphenyl)-8-{6-(2,4-dihydroxyphenyl)-5-[(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl}-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-chromen-4-one

  • Molecular FormulaC45H44O11
  • Average mass760.824 Da
  • Monoisotopic mass760.288391 Da
  • ChemSpider ID4478090

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(2,4-Dihydroxyphenyl)-8-{6-(2,4-dihydroxyphenyl)-5-[(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl}-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(2,4-Dihydroxyphenyl)-8-{6-(2,4-dihydroxyphenyl)-5-[(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl}-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-chromen-4-one [ACD/IUPAC Name]
2-(2,4-Dihydroxyphényl)-8-{6-(2,4-dihydroxyphényl)-5-[(5-hydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-6-yl)carbonyl]-3-méthyl-2-cyclohexén-1-yl}-5,7-dihydroxy-3-(3-méthyl-2-butén-1-yl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 8-[5-[(3,4-dihydro-5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)carbonyl]-6-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2- buten-1-yl)- [ACD/Index Name]
Moracenin C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 935.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 282.0±27.8 °C
Index of Refraction: 1.670
Molar Refractivity: 207.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 9.38
ACD/LogD (pH 5.5): 8.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1097068.13
ACD/LogD (pH 7.4): 7.40
ACD/BCF (pH 7.4): 122579.68
ACD/KOC (pH 7.4): 66373.66
Polar Surface Area: 194 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 556.7±3.0 cm3

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